Compound Detail
CHEMBL406294
DOXOFORM Enter ChEMBL ID:
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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC2C(OCN2CN2COC3C(C)OC(O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)CC32)C(C)O1
Basic Information
| ChEMBL ID | CHEMBL406294 |
| Name | DOXOFORM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZUVBKWGQQCRMJ-BCNYZFJLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1123.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI/ADR-RES CHEMBL613829 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI/ADR-RES | IC50 | = | 1.0 | nM | 9.0 | Compound was tested for its toxicity against doxorubicin resistant human breast ... | 9548820 |
| NCI/ADR-RES | IC50 | = | 1.0 | nM | 9.0 | compound was tested in vitro for inhibition activity against doxorubicin resista... | 9258351 |
| MCF7 | IC50 | = | 2.0 | nM | 8.7 | Compound was tested for its toxicity against human breast cancer cells(MCF-7) | 9548820 |
| MCF7 | IC50 | = | 2.0 | nM | 8.7 | compound was tested in vitro for inhibition activity against a sensitive human b... | 9258351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9548820 | 10.1021/jm970739s | MCF7 | 1 |
| 9548820 | 10.1021/jm970739s | NCI/ADR-RES | 1 |
| 9258351 | 10.1021/jm970237e | MCF7 | 1 |
| 9258351 | 10.1021/jm970237e | NCI/ADR-RES | 1 |
Data from ChEMBL 36 via Core Engine